Structure of PDB 5mxb Chain A Binding Site BS02

Receptor Information
>5mxb Chain A (length=155) Species: 3873 (Lupinus luteus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVFTFQDEYTSTIAPAKLYKALVTDADIIIPKAVETIQSVEIVEGNGGPG
TIKKLTFIEGGESKYVLHKIEAIDEANLGYNYSIVGGVGLPDTIEKISFE
TKLVEGANGGSIGKVTIKIETKGDAQPNEEEGKAAKARGDAFFKAIESYL
SAHPD
Ligand information
Ligand IDML1
InChIInChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyDRLFMBDRBRZALE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)NCCc1c[nH]c2c1cc(cc2)OC
CACTVS 3.370COc1ccc2[nH]cc(CCNC(C)=O)c2c1
ACDLabs 10.04O=C(NCCc2c1cc(OC)ccc1nc2)C
FormulaC13 H16 N2 O2
NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;
Melatonin
ChEMBLCHEMBL45
DrugBankDB01065
ZINCZINC000000057060
PDB chain5mxb Chain A Residue 222 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mxb PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine.
Resolution1.51 Å
Binding residue
(original residue number in PDB)		I37 L55 R138 F142
Binding residue
(residue number reindexed from 1)		I37 L55 R138 F142
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.27.-
Gene Ontology
Molecular Function
GO:0004518 nuclease activity
GO:0004540 RNA nuclease activity
GO:0004864 protein phosphatase inhibitor activity
GO:0005509 calcium ion binding
GO:0010427 abscisic acid binding
GO:0038023 signaling receptor activity
GO:0044373 cytokinin binding
GO:0046872 metal ion binding
GO:1904408 melatonin binding
Biological Process
GO:0006952 defense response
GO:0009738 abscisic acid-activated signaling pathway
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5mxb, PDBe:5mxb, PDBj:5mxb
PDBsum5mxb
PubMed29630775
UniProtQ9LLQ2|P102B_LUPLU Class 10 plant pathogenesis-related protein 2B (Gene Name=PR10.2B)

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